3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-piperidinosulfonylphenyl)propionamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N5O3S/c1-17-21(18(2)27(25-17)15-7-12-23)10-11-22(28)24-19-8-6-9-20(16-19)31(29,30)26-13-4-3-5-14-26/h6,8-9,16H,3-5,7,10-11,13-15H2,1-2H3,(H,24,28)